N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide Openeye Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide CAS Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide IUPAC Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide Traditional Name: N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-o-veratryl-benzenesulfonamide Formula: C29H29N5O4S MolecularWeight: 543.63666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(C2CC3=C(C=CC(=C3)C#N)N(C2)CC4=CN=CN4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O4S/c1-37-28-10-6-7-22(29(28)38-2)17-34(39(35,36)26-8-4-3-5-9-26)25-14-23-13-21(15-30)11-12-27(23)33(19-25)18-24-16-31-20-32-24/h3-13,16,20,25H,14,17-19H2,1-2H3,(H,31,32)